Information card for entry 4115572

Structure parameters

• Chemical name: TpOs[NH-p-C6H4N(c-C5H10)]Cl2
• Formula: C23 H31 B Cl2 N8 O Os
• Calculated formula: C23 H31 B Cl2 N8 O Os
• SMILES: c1ccn2[BH]3n4ccc[n]4[Os]([n]12)([n]1cccn31)(Nc1ccc(cc1)N1CCCCC1)(Cl)Cl.C(=O)(C)C
• Title of publication: Activation of an Anilido Ligand for Nucleophilic Aromatic Substitution by an Oxidizing Os(IV) Center
• Authors of publication: Jake D. Soper; Werner Kaminsky; James M. Mayer
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 5594 - 5595
• a: 12.195 ± 0.0003 Å
• b: 22.04 ± 0.0011 Å
• c: 16.888 ± 0.0006 Å
• α: 90°
• β: 143.526 ± 0.003°
• γ: 90°
• Cell volume: 2698.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0705
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No